Senior Quantum Chemistry Specialist

Our client, a globally recognized leader in theoretical chemistry and computational materials science, is seeking an exceptional Senior Quantum Chemistry Specialist for a fully remote position. This role offers the unique opportunity to work from anywhere within Upington, Northern Cape, ZA , contributing to groundbreaking research that shapes the future of materials and chemical processes. You will be responsible for performing high-level quantum chemical calculations to investigate reaction mechanisms, electronic structures, and material properties.

This position requires a profound understanding of quantum mechanics, advanced computational methods, and extensive experience with quantum chemistry software packages. The ideal candidate is a self-motivated and detail-oriented scientist who thrives in an independent research environment and excels at virtual collaboration. We are looking for a visionary thinker who can guide theoretical efforts and solve complex chemical problems remotely.

• Perform high-level quantum chemical calculations (e.g., DFT, coupled cluster) to investigate electronic structure, spectroscopy, and reactivity.
• Develop and apply advanced computational methodologies for modeling complex chemical systems.
• Analyze and interpret quantum chemical calculation results to provide insights into chemical phenomena and material properties.
• Collaborate with experimental chemists and materials scientists to guide research directions and interpret experimental data.
• Develop and maintain computational scripts and workflows for efficient calculation execution and data analysis.
• Stay abreast of the latest theoretical advancements and computational techniques in quantum chemistry.
• Prepare high-quality technical reports, manuscripts for peer-reviewed publications, and presentations.
• Mentor junior computational chemists and guide their research efforts.
• Troubleshoot computational issues and optimize calculation parameters for accuracy and efficiency.
• Contribute to the development of novel theoretical models and computational tools.

• Ph.D. in Quantum Chemistry, Theoretical Chemistry, Physics, or a closely related field.
• Minimum of 6 years of post-doctoral or industrial experience in quantum chemistry research.
• Extensive expertise in using quantum chemistry software packages such as Gaussian, ORCA, NWChem, or similar.
• Strong theoretical background in quantum mechanics, molecular orbital theory, and computational methods.
• Proficiency in programming languages (e.g., Python, Bash) for scripting and data analysis.
• Proven ability to manage complex computational projects and high-performance computing resources.
• Excellent analytical and problem-solving skills with a rigorous scientific approach.
• Strong written and verbal communication skills for effective remote collaboration and dissemination of results.
• Ability to work independently and proactively drive research initiatives in a remote setting.
• Experience with electronic structure calculations for materials science applications is highly desirable.

• Our client offers a leading salary package, performance-based incentives, and a comprehensive remote work benefits suite, including excellent health, dental, and vision insurance.
• A generous annual budget is allocated for professional development, including access to advanced training, virtual conferences, and relevant software.
• A substantial home office stipend is provided to ensure optimal working conditions.
• Employees receive ample paid time off and benefit from flexible remote working arrangements.
• This is an unparalleled opportunity to contribute to fundamental scientific discovery from the comfort and convenience of your home, with a company that values innovation and employee well-being.